5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine

C24H18ClF3N6O — CID 137430863

IUPAC5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1OCCn1ccc(C(F)(F)F)c1
InChIInChI=1S/C24H18ClF3N6O/c25-18-11-15(10-16-12-30-33-19(16)18)21-20(14-4-2-1-3-5-14)31-22(29)23(32-21)35-9-8-34-7-6-17(13-34)24(26,27)28/h1-7,10-13H,8-9H2,(H2,29,31)(H,30,33)
InChIKeyJWMOPLHHCYGZEV-UHFFFAOYSA-N
MW498.90 g/mol
LogP5.82
Rot. Bonds6

About 5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine

5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine (PubChem CID 137430863) has the molecular formula C24H18ClF3N6O and a molecular weight of 498.90 g/mol. Its IUPAC name is 5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine.

Molecular Properties

Compound Name5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine
PubChem CID137430863
Molecular FormulaC24H18ClF3N6O
Molecular Weight498.90 g/mol
Exact Mass498.12
IUPAC Name5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1OCCn1ccc(C(F)(F)F)c1
InChIInChI=1S/C24H18ClF3N6O/c25-18-11-15(10-16-12-30-33-19(16)18)21-20(14-4-2-1-3-5-14)31-22(29)23(32-21)35-9-8-34-7-6-17(13-34)24(26,27)28/h1-7,10-13H,8-9H2,(H2,29,31)(H,30,33)
InChIKeyJWMOPLHHCYGZEV-UHFFFAOYSA-N
XLogP5.82
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.90
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine?
The IUPAC name of 5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine (CID 137430863) is 5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine.
What is the SMILES notation for 5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine?
The canonical SMILES for 5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine is Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1OCCn1ccc(C(F)(F)F)c1.
What is the InChIKey of 5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine?
The InChIKey is JWMOPLHHCYGZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClF3N6O/c25-18-11-15(10-16-12-30-33-19(16)18)21-20(14-4-2-1-3-5-14)31-22(29)23(32-21)35-9-8-34-7-6-17(13-34)24(26,27)28/h1-7,10-13H,8-9H2,(H2,29,31)(H,30,33).
What are the key properties of 5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine?
5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine has a molecular weight of 498.90 g/mol, XLogP of 5.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine is sourced from PubChem (CID 137430863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).